1-(2-chlorophenyl)-3,3-bis(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

Systemtic Name: 1-(2-chlorophenyl)-3,3-bis(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Openeye Name: 1-(2-chlorophenyl)-3,3-bis(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: 1-(2-chlorophenyl)-3,3-bis(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: 1-(2-chlorophenyl)-3,3-bis(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Traditional Name: 1-(2-chlorophenyl)-3,3-bis(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Formula: C13H9ClN6O MolecularWeight: 300.70316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C=C(C2=NC=NN2)C3=NC=NN3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C=C(C2=NC=NN2)C3=NC=NN3)Cl

InChI

InChI=1S/C13H9ClN6O/c14-10-4-2-1-3-8(10)11(21)5-9(12-15-6-17-19-12)13-16-7-18-20-13/h1-7H,(H,15,17,19)(H,16,18,20)